3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methylpropanoic acid

C10H16N2O2S — CID 83893329

IUPAC3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methylpropanoic acid
SMILESCc1nc(N(C)C)sc1CC(C)C(=O)O
InChIInChI=1S/C10H16N2O2S/c1-6(9(13)14)5-8-7(2)11-10(15-8)12(3)4/h6H,5H2,1-4H3,(H,13,14)
InChIKeyYZZUVMMWRVCTJJ-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.78
Rot. Bonds4

About 3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methylpropanoic acid

3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methylpropanoic acid (PubChem CID 83893329) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methylpropanoic acid
PubChem CID83893329
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methylpropanoic acid
SMILESCc1nc(N(C)C)sc1CC(C)C(=O)O
InChIInChI=1S/C10H16N2O2S/c1-6(9(13)14)5-8-7(2)11-10(15-8)12(3)4/h6H,5H2,1-4H3,(H,13,14)
InChIKeyYZZUVMMWRVCTJJ-UHFFFAOYSA-N
XLogP1.78
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methylpropanoic acid (CID 83893329) is 3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methylpropanoic acid is Cc1nc(N(C)C)sc1CC(C)C(=O)O.
What is the InChIKey of 3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methylpropanoic acid?
The InChIKey is YZZUVMMWRVCTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-6(9(13)14)5-8-7(2)11-10(15-8)12(3)4/h6H,5H2,1-4H3,(H,13,14).
What are the key properties of 3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methylpropanoic acid?
3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methylpropanoic acid has a molecular weight of 228.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methylpropanoic acid is sourced from PubChem (CID 83893329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).